3-(2,4-dimethylphenoxy)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]propanamide

Systemtic Name: 3-(2,4-dimethylphenoxy)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]propanamide Openeye Name: 3-(2,4-dimethylphenoxy)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]propanamide CAS Name: 3-(2,4-dimethylphenoxy)-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanamide IUPAC Name: 3-(2,4-dimethylphenoxy)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Traditional Name: 3-(2,4-dimethylphenoxy)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]propionamide Formula: C23H32N3O5S+ MolecularWeight: 462.58228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)C)OC)C

InChI

InChI=1S/C23H31N3O5S/c1-17-5-7-21(18(2)15-17)31-14-9-23(27)24-20-16-19(6-8-22(20)30-4)32(28,29)26-12-10-25(3)11-13-26/h5-8,15-16H,9-14H2,1-4H3,(H,24,27)/p+1